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Isorhamnetin7-O-alpha-L-rhamnoside

PubChem CID: 14310828

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Compound Synonyms Isorhamnetin7-O-alpha-L-rhamnoside
Topological Polar Surface Area 175.0
Hydrogen Bond Donor Count 6.0
Inchi Key XLQFMBLUUSGXQY-UHFFFAOYSA-N
Rotatable Bond Count 4.0
Synonyms Isorhamnetin 7-rhamnoside
Heavy Atom Count 33.0
Compound Name Isorhamnetin7-O-alpha-L-rhamnoside
Description Isorhamnetin 7-rhamnoside is a member of the class of compounds known as flavonoid-7-o-glycosides. Flavonoid-7-o-glycosides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Isorhamnetin 7-rhamnoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Isorhamnetin 7-rhamnoside can be found in sea-buckthornberry, which makes isorhamnetin 7-rhamnoside a potential biomarker for the consumption of this food product.
Exact Mass 462.116
Formal Charge 0.0
Monoisotopic Mass 462.116
Isotope Atom Count 0.0
Molecular Complexity 757.0
Hydrogen Bond Acceptor Count 11.0
Molecular Weight 462.4
Database Name fooddb_chem_all;pubchem
Covalent Unit Count 1.0
Defined Atom Stereocenter Count 0.0
Iupac Name 3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one
Total Atom Stereocenter Count 5.0
Total Bond Stereocenter Count 0.0
Inchi InChI=1S/C22H22O11/c1-8-16(25)18(27)20(29)22(31-8)32-10-6-12(24)15-14(7-10)33-21(19(28)17(15)26)9-3-4-11(23)13(5-9)30-2/h3-8,16,18,20,22-25,27-29H,1-2H3
Smiles CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O)C4=CC(=C(C=C4)O)OC)O)O)O)O
Xlogp 1.2
Defined Bond Stereocenter Count 0.0
Molecular Formula C22H22O11

  • 1. Outgoing r'ship FOUND_IN to/from Hippophae Rhamnoides (Plant) Rel Props:Source_db:fooddb_chem_all